5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile

C17H15N5 — CID 122142016

IUPAC5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cccc(Cn3cccn3)c2)cn1
InChIInChI=1S/C17H15N5/c18-10-16-5-6-17(12-20-16)19-11-14-3-1-4-15(9-14)13-22-8-2-7-21-22/h1-9,12,19H,11,13H2
InChIKeyPKQDHBUSCKDWEA-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.81
Rot. Bonds5

About 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile

5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile (PubChem CID 122142016) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
PubChem CID122142016
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cccc(Cn3cccn3)c2)cn1
InChIInChI=1S/C17H15N5/c18-10-16-5-6-17(12-20-16)19-11-14-3-1-4-15(9-14)13-22-8-2-7-21-22/h1-9,12,19H,11,13H2
InChIKeyPKQDHBUSCKDWEA-UHFFFAOYSA-N
XLogP2.81
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133291347
5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
CID 97119021
6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 133313975
5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358839
5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile
CID 115490190
N-[(5-bromothiophen-3-yl)methyl]-3-(pyrazol-1-ylmethyl)aniline
CID 43738885
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110917931
N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60942760
5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
CID 79840154
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one
CID 133303721
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile (CID 122142016) is 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCc2cccc(Cn3cccn3)c2)cn1.
What is the InChIKey of 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is PKQDHBUSCKDWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c18-10-16-5-6-17(12-20-16)19-11-14-3-1-4-15(9-14)13-22-8-2-7-21-22/h1-9,12,19H,11,13H2.
What are the key properties of 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile?
5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 122142016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).